ethyl 2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]oxypropanoate

C18H16Cl2N2O3 — CID 3611698

IUPACethyl 2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]oxypropanoate
SMILESCCOC(=O)C(C)On1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cc21
InChIInChI=1S/C18H16Cl2N2O3/c1-3-24-18(23)11(2)25-22-16-10-14(20)8-9-15(16)21-17(22)12-4-6-13(19)7-5-12/h4-11H,3H2,1-2H3
InChIKeyRSYKTVJVNGUMAW-UHFFFAOYSA-N
MW379.24 g/mol
LogP4.39
Rot. Bonds5

About ethyl 2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]oxypropanoate

ethyl 2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]oxypropanoate (PubChem CID 3611698) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is ethyl 2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]oxypropanoate.

Molecular Properties

Compound Nameethyl 2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]oxypropanoate
PubChem CID3611698
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Nameethyl 2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]oxypropanoate
SMILESCCOC(=O)C(C)On1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cc21
InChIInChI=1S/C18H16Cl2N2O3/c1-3-24-18(23)11(2)25-22-16-10-14(20)8-9-15(16)21-17(22)12-4-6-13(19)7-5-12/h4-11H,3H2,1-2H3
InChIKeyRSYKTVJVNGUMAW-UHFFFAOYSA-N
XLogP4.39
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]oxypropanoate?
The IUPAC name of ethyl 2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]oxypropanoate (CID 3611698) is ethyl 2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]oxypropanoate.
What is the SMILES notation for ethyl 2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]oxypropanoate?
The canonical SMILES for ethyl 2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]oxypropanoate is CCOC(=O)C(C)On1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cc21.
What is the InChIKey of ethyl 2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]oxypropanoate?
The InChIKey is RSYKTVJVNGUMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-3-24-18(23)11(2)25-22-16-10-14(20)8-9-15(16)21-17(22)12-4-6-13(19)7-5-12/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]oxypropanoate?
ethyl 2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]oxypropanoate has a molecular weight of 379.24 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]oxypropanoate is sourced from PubChem (CID 3611698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).